4-fluoro-4,7-dihydro-3aH-pyrrolo[2,3-b]pyridine

C7H7FN2 — CID 153200141

IUPAC4-fluoro-4,7-dihydro-3aH-pyrrolo[2,3-b]pyridine
SMILESFC1C=CNC2=NC=CC21
InChIInChI=1S/C7H7FN2/c8-6-2-4-10-7-5(6)1-3-9-7/h1-6H,(H,9,10)
InChIKeyWJTGKLOVMMQZEW-UHFFFAOYSA-N
MW138.14 g/mol
LogP0.98
Rot. Bonds

About 4-fluoro-4,7-dihydro-3aH-pyrrolo[2,3-b]pyridine

4-fluoro-4,7-dihydro-3aH-pyrrolo[2,3-b]pyridine (PubChem CID 153200141) has the molecular formula C7H7FN2 and a molecular weight of 138.14 g/mol. Its IUPAC name is 4-fluoro-4,7-dihydro-3aH-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-fluoro-4,7-dihydro-3aH-pyrrolo[2,3-b]pyridine
PubChem CID153200141
Molecular FormulaC7H7FN2
Molecular Weight138.14 g/mol
Exact Mass138.06
IUPAC Name4-fluoro-4,7-dihydro-3aH-pyrrolo[2,3-b]pyridine
SMILESFC1C=CNC2=NC=CC21
InChIInChI=1S/C7H7FN2/c8-6-2-4-10-7-5(6)1-3-9-7/h1-6H,(H,9,10)
InChIKeyWJTGKLOVMMQZEW-UHFFFAOYSA-N
XLogP0.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.14
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3aS)-5-fluoro-3,3a,4,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine
CID 126686839
N'-[2,4-bis(trifluoromethyl)-4a,7-dihydropyrrolo[2,3-d]pyrimidin-7a-yl]-2,2,2-trifluoroethanimidamide
CID 177483321
3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 70327680
3-bromo-4,7-dihydro-3aH-pyrrolo[2,3-b]pyridine
CID 70327682
5-chloro-3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 89259869
3,3a,4,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine
CID 118672075
3a,4,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine
CID 118672085
3-ethyl-N-methyl-1,3-dihydropyrrol-2-imine
CID 137291308
5-bromo-3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 138711096
N-ethenyl-4-methyl-3,4-dihydropyridin-2-amine
CID 156242083
4,4a-dihydro-1H-pyrrolo[2,3-d]pyrimidine
CID 176545565

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4,7-dihydro-3aH-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-fluoro-4,7-dihydro-3aH-pyrrolo[2,3-b]pyridine (CID 153200141) is 4-fluoro-4,7-dihydro-3aH-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-fluoro-4,7-dihydro-3aH-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-fluoro-4,7-dihydro-3aH-pyrrolo[2,3-b]pyridine is FC1C=CNC2=NC=CC21.
What is the InChIKey of 4-fluoro-4,7-dihydro-3aH-pyrrolo[2,3-b]pyridine?
The InChIKey is WJTGKLOVMMQZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2/c8-6-2-4-10-7-5(6)1-3-9-7/h1-6H,(H,9,10).
What are the key properties of 4-fluoro-4,7-dihydro-3aH-pyrrolo[2,3-b]pyridine?
4-fluoro-4,7-dihydro-3aH-pyrrolo[2,3-b]pyridine has a molecular weight of 138.14 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4,7-dihydro-3aH-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 153200141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).